SCHEMBL9945515

SCHEMBL9945515

CCCCC(CC)COCCOC(=O)C1CCCCC1C(=O)OCCOCC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP14 P50281 1/20 0.52
CYP3A4 P08684 6/20 0.50
TSHR P16473 3/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.43
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PLA2G2C Q5R387 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1297157 0.95 MMP9 (0.51) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL22856171 0.92 CYP3A4 (0.47) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1296983 0.88 CYP3A4 (0.50) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1296534 0.88 CYP3A4 (0.50) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1142664 0.87 CYP3A4 (0.55) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1295972 0.86 CYP3A4 (0.49) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1297137 0.85 CYP3A4 (0.48) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1296422 0.85 CYP3A4 (0.48) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1296516 0.85 CYP3A4 (0.48) MMP9MMP8MMP14CYP3A4TSHR
SCHEMBL1297160 0.85 CYP3A4 (0.48) MMP9MMP8MMP14CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9228147-B2 Glycol ether-based cyclohexanoate esters, their synthesis and methods of use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-05 US disclosed
US-9228147-B2 Glycol ether-based cyclohexanoate esters, their synthesis and methods of use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-05 US disclosed
WO-2012082826-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-21 WO disclosed
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-14 US disclosed
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE GNE, UGT8, GK MMP9 3690/4885MMP8 1616/4885MMP14 1846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.